General Information of the Compound
| Compound ID |
CP0961086
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| Compound Name |
(E)-N-(Chroman-7-methyl)-N-methyl-3-(4-trifluoromethylphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C21H23ClF3NO
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| Molecular Weight |
397.868
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| Canonical SMILES |
CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCC2.Cl
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| InChI |
InChI=1S/C21H22F3NO.ClH/c1-25(15-17-6-9-18-5-3-13-26-20(18)14-17)12-2-4-16-7-10-19(11-8-16)21(22,23)24;/h2,4,6-11,14H,3,5,12-13,15H2,1H3;1H/b4-2+;
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| InChIKey |
QKZWHYJLEFURLZ-VEELZWTKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound